CHEBI:8176 - Phyllalbine

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ChEBI Name Phyllalbine
ChEBI ID CHEBI:8176
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H21NO4
Net Charge 0
Average Mass 291.343
Monoisotopic Mass 291.14706
InChI InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3
InChIKey OZKTVDIYALBSMA-UHFFFAOYSA-N
SMILES COc1cc(ccc1O)C(=O)O[C@H]1CC2CCC(C1)N2C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Phyllalbine (CHEBI:8176) is a methoxybenzoic acid (CHEBI:25238)
Synonym Source
Phyllalbine KEGG COMPOUND
Manual Xrefs Databases
C00002298 KNApSAcK
C10863 KEGG COMPOUND
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Registry Number Type Source
4540-25-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014